{2-[(4-Chloro-3-methoxyphenyl)sulfanyl]phenyl}acetonitrile

Base Information

• Chemical Name: {2-[(4-Chloro-3-methoxyphenyl)sulfanyl]phenyl}acetonitrile
• CAS No.: 61150-52-5
• Molecular Formula: C15H12ClNOS
• Molecular Weight: 289.785
• DSSTox Substance ID: DTXSID40495017
• Wikidata: Q82342847
• Mol file: 61150-52-5.mol

Synonyms:61150-52-5;SCHEMBL11481188;{2-[(4-Chloro-3-methoxyphenyl)sulfanyl]phenyl}acetonitrile;DTXSID40495017;AFYLHCHMUCXZMW-UHFFFAOYSA-N;2-(4-chloro-3-methoxyphenylthio)phenylacetonitrile

Chemical Property of {2-[(4-Chloro-3-methoxyphenyl)sulfanyl]phenyl}acetonitrile

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 289.0328129
• Heavy Atom Count: 19
• Complexity: 329

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)SC2=CC=CC=C2CC#N)Cl

Technology Process of {2-[(4-Chloro-3-methoxyphenyl)sulfanyl]phenyl}acetonitrile

There total 7 articles about {2-[(4-Chloro-3-methoxyphenyl)sulfanyl]phenyl}acetonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2-Iodobenzoic acid (88-67-5) → 2-(4-chloro-3-methoxyphenylthio)phenylacetonitrile (61150-52-5)

Guidance literature:

Multi-step reaction with 4 steps

1: aq. KOH, Cu

2: Na2(OCH₂CH₂OMe)2>

3: SOCl₂, Py

With pyridine; potassium hydroxide; thionyl chloride; copper; sodium bis(2-methoxyethoxy)aluminium dihydride;

DOI:10.1135/cccc19771705

Reference yield:

4-chloro-3-methoxybenzenethiol (61150-48-9) → 2-(4-chloro-3-methoxyphenylthio)phenylacetonitrile (61150-52-5)

Guidance literature:

Multi-step reaction with 4 steps

1: aq. KOH, Cu

2: Na2(OCH₂CH₂OMe)2>

3: SOCl₂, Py

With pyridine; potassium hydroxide; thionyl chloride; copper; sodium bis(2-methoxyethoxy)aluminium dihydride;

DOI:10.1135/cccc19771705

Reference yield:

2-(4-chloro-3-methoxyphenylthio)benzyl alcohol (61150-50-3) → 2-(4-chloro-3-methoxyphenylthio)phenylacetonitrile (61150-52-5)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂, Py

With pyridine; thionyl chloride;

DOI:10.1135/cccc19771705

upstream raw materials:

2-(4-chloro-3-methoxyphenylthio)benzyl chloride

sodium cyanide

2-Iodobenzoic acid

4-chloro-3-methoxybenzenethiol

Downstream raw materials:

2-(4-chloro-3-methoxyphenylthio)phenylacetic acid